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Isophthalic acid, hept-2-yl tetradecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isophthalic acid, hept-2-yl tetradecyl ester
SpectraBase Compound ID LYUrmha9C9l
InChI InChI=1S/C29H48O4/c1-4-6-8-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-22-27(24-26)29(31)33-25(3)20-17-7-5-2/h19,21-22,24-25H,4-18,20,23H2,1-3H3
InChIKey IOYDBOGVUJAXLK-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID El8A0WrfSbg
Name Isophthalic acid, hept-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-6-8-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-22-27(24-26)29(31)33-25(3)20-17-7-5-2/h19,21-22,24-25H,4-18,20,23H2,1-3H3
InChIKey IOYDBOGVUJAXLK-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=C(C=C(C=C1)C(OC(C)CCCCC)=O)C(=O)OCCCCCCCCCCCCCC